학술논문
Mechanisms of the C-H halogenation of adamantane in the presence of N-hydroxyphthalimide
Document Type
Report
Source
Theoretical and Experimental Chemistry. Feb, 2008, Vol. 44 Issue 1, p48, 6 p.
Subject
Language
English
ISSN
0040-5760
Abstract
A study was carried out on the mechanisms for the halogenation of the C-H bonds in systems containing N-hydroxyphthalimide, oxone, and CHal.sub.4 or N-hydroxyphthalimide and t-BuOCl. These reactions proceed with the participation of the phthalimido-N-oxyl (PINO) radical, which may serve either as an initiator or reagent. A DFT (density functional theory) model showed that the PINO radical may be generated efficiently in the presence of t-BuOCl as the initiator.